3-chloranyl-5-methyl-4-[[[2-(2-methylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-methyl-4-[[[2-(2-methylbutan-2-ylamino)-3,4-bis(oxidanylidene)cyclobuten-1-yl]amino]methyl]benzenecarbonitrile Openeye Name: 3-chloro-4-[[[2-(1,1-dimethylpropylamino)-3,4-dioxo-cyclobuten-1-yl]amino]methyl]-5-methyl-benzonitrile CAS Name: 3-chloro-5-methyl-4-[[[2-(2-methylbutan-2-ylamino)-3,4-dioxo-1-cyclobutenyl]amino]methyl]benzonitrile IUPAC Name: 3-chloro-5-methyl-4-[[[2-(2-methylbutan-2-ylamino)-3,4-dioxocyclobuten-1-yl]amino]methyl]benzonitrile Traditional Name: 4-[[[2-(tert-amylamino)-3,4-diketo-cyclobuten-1-yl]amino]methyl]-3-chloro-5-methyl-benzonitrile Formula: C18H20ClN3O2 MolecularWeight: 345.8233

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2Cl)C#N)C

Isomeric SMILES

CCC(C)(C)NC1=C(C(=O)C1=O)NCC2=C(C=C(C=C2Cl)C#N)C

InChI

InChI=1S/C18H20ClN3O2/c1-5-18(3,4)22-15-14(16(23)17(15)24)21-9-12-10(2)6-11(8-20)7-13(12)19/h6-7,21-22H,5,9H2,1-4H3